Brief Information of the Compound and Protein
Compound Name
 Compound Info 
methyl 4-[[[1-[2-[1-[5-(tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl]-4-(3-fluorophenyl)piperidin-4-yl]ethyl]piperidin-4-yl]-prop-2-enylcarbamoyl]oxymethyl]benzoate
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 PubChem ID
CID: 52940989
Canonical SMILES
COC(=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC3(CCN(CC3)C(=O)c3cc(c(F)cc3Cl)S(=O)(=O)NC(C)(C)C)c3cccc(F)c3)CC2)cc1
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Compound Formula C42H51ClF2N4O7S
Compound Structure
Protein Name
 Protein Info 
C-C chemokine receptor type 5
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Chemokine receptor
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CC chemokine receptor
Uniprot ID
P51681
Gene Name
CCR5
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000149 HOS
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 41 nM
   TI
   LI
   LO
   TS